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At least 397 records · Page 22

The Science DMZ: A Network Design Pattern for Data-Intensive Science

The ever-increasing scale of scientific data has become a significant challenge for researchers that rely on networks to interact with remote computing systems and transfer results to collaborators worldwide. Despite the availability of high-capacity connections, scientists struggle with inadequate cyberinfrastructure that cripples data transfer performance, and impedes scientific progress. The Science DMZ paradigm comprises a proven set of network design patterns that collectively address these problems for scientists. We explain the Science DMZ model, including network architecture, system configuration, cybersecurity, and performance tools, that creates an optimized network environment for science. We describe use cases from universities, supercomputing centers and research laboratories, highlighting the effectiveness of the Science DMZ model in diverse operational settings. In all, the Science DMZ model is a solid platform that supports any science workflow, and flexibly accommodates emerging network technologies. As a result, the Science DMZ vastly improves collaboration, accelerating scientific discovery.

Dart, Eli↗

Computing Needs for Astrobiology: Models of Planetary Formation

Theories of planet formation indicate that a diverse range of physical and chemical processes determine the characteristics of a planetary system. Extensive numerical modeling is required to understand how planetary systems form, and to make quantitative assessments of the factors which determine the masses, spacings and volatile compound inventories of planets and small bodies within a planetary system. Fluid flow problems associated with the formation and evolution of protoplanetary disks include specific local calculations to provide physical insight, which are best performed on workstations, and large multifaceted simulations which require supercomputers with large memories. Formation and early growth of planetesimals display a similar range of computational requirements. Modeling the late stages of planetary accumulation is very CPU intensive, as it requires following a simple system of approx. hundreds of bodies for millions of dynamical (orbital) times. These varied computational needs could be met in the most cost-effective manner by a diverse set of computers, including workstations for individual PI's and dedicated time on various types of supercomputers which are specialized for differing tasks.

Lissauer, Jack J.↗

The Science DMZ: A Network Design Pattern for Data-Intensive Science

The ever-increasing scale of scientific data has become a significant challenge for researchers that rely on networks to interact with remote computing systems and transfer results to collaborators worldwide. Despite the availability of high-capacity connections, scientists struggle with inadequate cyberinfrastructure that cripples data transfer performance, and impedes scientific progress. The Science DMZ paradigm comprises a proven set of network design patterns that collectively address these problems for scientists. We explain the Science DMZ model, including network architecture, system configuration, cybersecurity, and performance tools, that creates an optimized network environment for science. We describe use cases from universities, supercomputing centers and research laboratories, highlighting the effectiveness of the Science DMZ model in diverse operational settings. In all, the Science DMZ model is a solid platform that supports any science workflow, and flexibly accommodates emerging network technologies. As a result, the Science DMZ vastly improves collaboration, accelerating scientific discovery.

42 ENGINEERING↗

Pre-Hardware Optimization of Spacecraft Image Processing Software Algorithms and Hardware Implementation

Spacecraft telemetry rates have steadily increased over the last decade presenting a problem for real-time processing by ground facilities. This paper proposes a solution to a related problem for the Geostationary Operational Environmental Spacecraft (GOES-8) image processing application. Although large super-computer facilities are the obvious heritage solution, they are very costly, making it imperative to seek a feasible alternative engineering solution at a fraction of the cost. The solution is based on a Personal Computer (PC) platform and synergy of optimized software algorithms and re-configurable computing hardware technologies, such as Field Programmable Gate Arrays (FPGA) and Digital Signal Processing (DSP). It has been shown in [1] and [2] that this configuration can provide superior inexpensive performance for a chosen application on the ground station or on-board a spacecraft. However, since this technology is still maturing, intensive pre-hardware steps are necessary to achieve the benefits of hardware implementation. This paper describes these steps for the GOES-8 application, a software project developed using Interactive Data Language (IDL) (Trademark of Research Systems, Inc.) on a Workstation/UNIX platform. The solution involves converting the application to a PC/Windows/RC platform, selected mainly by the availability of low cost, adaptable high-speed RC hardware. In order for the hybrid system to run, the IDL software was modified to account for platform differences. It was interesting to examine the gains and losses in performance on the new platform, as well as unexpected observations before implementing hardware. After substantial pre-hardware optimization steps, the necessity of hardware implementation for bottleneck code in the PC environment became evident and solvable beginning with the methodology described in [1], [2], and implementing a novel methodology for this specific application [6]. The PC-RC interface bandwidth problem for the class of applications with moderate input-output data rates but large intermediate multi-thread data streams has been addressed and mitigated. This opens a new class of satellite image processing applications for bottleneck problems solution using RC technologies. The issue of a science algorithm level of abstraction necessary for RC hardware implementation is also described. Selected Matlab functions already implemented in hardware were investigated for their direct applicability to the GOES-8 application with the intent to create a library of Matlab and IDL RC functions for ongoing work. A complete class of spacecraft image processing applications using embedded re-configurable computing technology to meet real-time requirements, including performance results and comparison with the existing system, is described in this paper.

Kizhner, Semion↗

A Computational Approach for Probabilistic Analysis of LS-DYNA Water Impact Simulations

NASA s development of new concepts for the Crew Exploration Vehicle Orion presents many similar challenges to those worked in the sixties during the Apollo program. However, with improved modeling capabilities, new challenges arise. For example, the use of the commercial code LS-DYNA, although widely used and accepted in the technical community, often involves high-dimensional, time consuming, and computationally intensive simulations. Because of the computational cost, these tools are often used to evaluate specific conditions and rarely used for statistical analysis. The challenge is to capture what is learned from a limited number of LS-DYNA simulations to develop models that allow users to conduct interpolation of solutions at a fraction of the computational time. For this problem, response surface models are used to predict the system time responses to a water landing as a function of capsule speed, direction, attitude, water speed, and water direction. Furthermore, these models can also be used to ascertain the adequacy of the design in terms of probability measures. This paper presents a description of the LS-DYNA model, a brief summary of the response surface techniques, the analysis of variance approach used in the sensitivity studies, equations used to estimate impact parameters, results showing conditions that might cause injuries, and concluding remarks.

Horta, Lucas G.↗

Fracture Capabilities in Grizzly with the extended Finite Element Method (X-FEM)

Efforts are underway to develop fracture mechanics capabilities in the Grizzly code to enable it to be used to perform deterministic fracture assessments of degraded reactor pressure vessels (RPVs). A capability was previously developed to calculate three-dimensional interaction- integrals to extract mixed-mode stress-intensity factors. This capability requires the use of a finite element mesh that conforms to the crack geometry. The eXtended Finite Element Method (X-FEM) provides a means to represent a crack geometry without explicitly fitting the finite element mesh to it. This is effected by enhancing the element kinematics to represent jump discontinuities at arbitrary locations inside of the element, as well as the incorporation of asymptotic near-tip fields to better capture crack singularities. In this work, use of only the discontinuous enrichment functions was examined to see how accurate stress intensity factors could still be calculated. This report documents the following work to enhance Grizzly’s engineering fracture capabilities by introducing arbitrary jump discontinuities for prescribed crack geometries; X-FEM Mesh Cutting in 3D: to enhance the kinematics of elements that are intersected by arbitrary crack geometries, a mesh cutting algorithm was implemented in Grizzly. The algorithm introduces new virtual nodes and creates partial elements, and then creates a new mesh connectivity; Interaction Integral Modifications: the existing code for evaluating the interaction integral in Grizzly was based on the assumption of a mesh that was fitted to the crack geometry. Modifications were made to allow for the possibility of a crack front that passes arbitrarily through the mesh; and Benchmarking for 3D Fracture: the new capabilities were benchmarked against mixed-mode three-dimensional fracture problems with known analytical solutions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SCORPIO: A Scalable Two-Phase Parallel I/O Library With Application To A Large Scale Subsurface Simulator

Inefficient parallel I/O is known to be a major bottleneck among scientific applications employed on supercomputers as the number of processor cores grows into the thousands. Our prior experience indicated that parallel I/O libraries such as HDF5 that rely on MPI-IO do not scale well beyond 10K processor cores, especially on parallel file systems (like Lustre) with single point of resource contention. Our previous optimization efforts for a massively parallel multi-phase and multi-component subsurface simulator (PFLOTRAN) led to a two-phase I/O approach at the application level where a set of designated processes participate in the I/O process by splitting the I/O operation into a communication phase and a disk I/O phase. The designated I/O processes are created by splitting the MPI global communicator into multiple sub-communicators. The root process in each sub-communicator is responsible for performing the I/O operations for the entire group and then distributing the data to rest of the group. This approach resulted in over 25X speedup in HDF I/O read performance and 3X speedup in write performance for PFLOTRAN at over 100K processor cores on the ORNL Jaguar supercomputer. This research describes the design and development of a general purpose parallel I/O library, SCORPIO (SCalable block-ORiented Parallel I/O) that incorporates our optimized two-phase I/O approach. The library provides a simplified higher level abstraction to the user, sitting atop existing parallel I/O libraries (such as HDF5) and implements optimized I/O access patterns that can scale on larger number of processors. Performance results with standard benchmark problems and PFLOTRAN indicate that our library is able to maintain the same speedups as before with the added flexibility of being applicable to a wider range of I/O intensive applications.

High Performance Computing↗

Generalized 3D beam dynamics model for industrial traveling wave linacs design and simulations

Beam dynamics simulations in traveling wave (TW) accelerating structures with significant beam loading is a challenging problem. Some codes are capable of calculating the TW electromagnetic fields, and some can track particles through such fields, but most cannot treat both self-consistently. A few commercial codes can model the physics correctly at the expense of many processor-hour computations to obtain converged self-consistent solutions. However, simple, accurate equations of motion for intensive beam dynamics in TW accelerating structure analysis have been previously obtained by Masunov and subsequently implemented in the Hellweg code, which was developed at the Moscow Engineering-Physics Institute. Hellweg is based on equations that allow fast simulations of beam dynamics while taking into account such effects as beam loading, space charge, and external magnetic fields. In this paper, we describe in detail some recent improvements to the Hellweg physics kernel. We have generalized the Masunov results into a 3D set of equations of motion, which include all spatial components of the radiofrequency (RF) and external magnetic fields. We have also improved the Lapostolle space charge model to the general 3D ellipsoid form for any dimensions’ ratio, consideration for the particles outside the beam core, and the fields from the neighboring bunches that can exist in the real machine. These modifications allow approaching the Hellweg accuracy to the self-consistent commercial codes while keeping the simulation time short, which is essential during the linac design and optimization stage. The implementation of these new capabilities in Hellweg is carefully benchmarked against other codes and analytical calculations. The code is freely available with an open source license.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Twisty-puzzle-inspired approach to Clifford synthesis

The problem of decomposing an arbitrary Clifford element into a sequence of Clifford gates is known as Clifford synthesis. Drawing inspiration from similarities between this and the famous Rubik's cube twisty puzzle, here we develop a machine learning approach for Clifford synthesis based on learning an approximation to the distance to the identity. This approach is probabilistic and computationally intensive. However, when a decomposition is successfully found, it often involves fewer gates than the decomposition methods used in the Qiskit decomposition protocol, which uses a combination of several well-known Clifford decomposition schemes. Additionally, our approach is much more flexible than existing algorithms in that arbitrary gate sets, device topologies, and gate fidelities may be incorporated, thus allowing for the approach to be tailored to a specific device.

97 MATHEMATICS AND COMPUTING↗

Proceedings of the 1998 International Computational Accelerator Physics Conference

The 1998 International Computational Accelerator Physics Conference, ICAP’98, was held September 14-18, 1998, at the Monterey Convention Center in Monterey, California. The meeting continued the tradition of four earlier Computational Accelerator Physics conferences, held in La Jolla, California (1988), Los Alamos, New Mexico (1990), Pleasanton, California (1993), and Williamsburg, Virginia (1996). ICAP’98 was organized by the Stanford Linear Accelerator Center (SLAC), Los Alamos National Laboratory (LANL), and the National Energy Research Scientific Computing Center (NERSC), and received support from the U.S. Department of Energy. The aim of this conference series is to discuss recent advances in Computational Accelerator Physics and their applications to solving important problems related to present and future accelerators. The ICAP’98 program included plenary sessions on modeling challenges in next-generation accelerators, state-of-the art methods in computational accelerator physics, and a view of what high-end computing would be like in the 21st century. There were also focused sessions on accelerator design and control, modeling high intensity beam phenomena, electromagnetic modeling, advanced algorithms, software environments and libraries, visualization and graphic interfaces, modeling advanced accelerator concepts, modeling the beam-beam interaction, computing wakefields, and combined particle/field simulations. In addition to these oral sessions there was a poster session and a vendor display. Prior to the start of the technical program, a half-day tutorial on High Performance Computing was hosted by NERSC. The ICAP series recognizes that computing and, in particular, advanced computing, is playing an increasingly important role in the successful design and development of major accelerator facilities, and in research and development leading to advances in accelerator technology. We expect that this new emphasis on high-end computing will continue in future ICAP conferences.

Ko, Kwok↗

An expert system for spectroscopic analysis of rocket engine plumes

The expert system described in this paper analyzes spectral emissions of rocket engine exhaust plumes and shows major promise for use in engine health diagnostics. Plume emission spectroscopy is an important tool for diagnosing engine anomalies, but it is time-consuming and requires highly skilled personnel. The expert system was created to alleviate such problems. The system accepts a spectral plot in the form of wavelength vs intensity pairs and finds the emission peaks in the spectrum, lists the elemental emitters present in the data and deduces the emitter that produced each peak. The system consists of a conventional language component and a commercially available inference engine that runs on an Apple Macintosh computer. The expert system has undergone limited preliminary testing. It detects elements well and significantly decreases analysis time.

Reese, Greg↗

Benchmark Solutions for Computational Aeroacoustics (CAA) Code Validation

NASA has conducted a series of Computational Aeroacoustics (CAA) Workshops on Benchmark Problems to develop a set of realistic CAA problems that can be used for code validation. In the Third (1999) and Fourth (2003) Workshops, the single airfoil gust response problem, with real geometry effects, was included as one of the benchmark problems. Respondents were asked to calculate the airfoil RMS pressure and far-field acoustic intensity for different airfoil geometries and a wide range of gust frequencies. This paper presents the validated that have been obtained to the benchmark problem, and in addition, compares them with classical flat plate results. It is seen that airfoil geometry has a strong effect on the airfoil unsteady pressure, and a significant effect on the far-field acoustic intensity. Those parts of the benchmark problem that have not yet been adequately solved are identified and presented as a challenge to the CAA research community.

Scott, James R.↗

On Computationally Efficient Radiative Transfer Calculations for Three-dimensional Entry Problems

The current work presents an efficient simulation framework for rigorously modeling radiative fields emanating from non-equilibrium planetary entry flows in complex three-dimensional domains. Key to this endeavor is adoption of finite-volume discretization in lieu of brute-force ray tracing. This change in conjunction with mesh sweeping and Lebedev-type quadrature for angular integration allows spatial-angular resolution of radiative transfer to be performed in a computationally tractable manner. Additionally, a new methodology has been established to build standalone reduced-order spectral databases for non-equilibrium radiative properties that can be applied to a broad range of hypersonic planetary entry problems with minimal loss in accuracy. The efficacy of the new framework has been demonstrated on the atomic nitrogen radiative system. The resulting reduced-order model requires three orders-of-magnitude fewer spectral evaluations and results in a 95% decrease in memory footprint. A comparative study for representative forebody and afterbody lines-of-sight from Stardust, FIRE II, and meteor entries into the Earth atmosphere indicates that both total intensity variation and detailed spectra can be retrieved with as few as 625 reduced-order groups (contrasting with the 100,000 frequencies in the original full set model). Similarly, three-dimensional predictions of radiative heating experienced by the Orion forebody are in excellent agreement with legacy radiation solvers while requiring only a sliver (roughly 0.5%) of computing wall time.

3D radiation↗

On Computationally Efficient Radiative Transfer Calculations for Three-Dimensional Entry Problems

The current work presents an efficient simulation framework for rigorously modeling radiative fields emanating from non-equilibrium planetary entry flows in complex three-dimensional domains. Key to this endeavor is adoption of finite-volume discretization in lieu of brute-force ray tracing. This change in conjunction with mesh sweeping and Lebedev-type quadrature for angular integration allows spatial-angular resolution of radiative transfer to be performed in a computationally tractable manner. Additionally, a new methodology has been established to build standalone reduced-order spectral databases for non-equilibrium radiative properties that can be applied to a broad range of hypersonic planetary entry problems with minimal loss in accuracy. The efficacy of the new framework has been demonstrated on the atomic nitrogen radiative system. The resulting reduced-order model requires three orders-of-magnitude fewer spectral evaluations and results in a 95% decrease in memory footprint. A comparative study for representative forebody and afterbody lines-of-sight from Stardust, FIRE II, and meteor entries into the Earth atmosphere indicates that both total intensity variation and detailed spectra can be retrieved with as few as 625 reduced-order groups (contrasting with the 100,000 frequencies in the original full set model). Similarly, three-dimensional predictions of radiative heating experienced by the Orion forebody are in excellent agreement with legacy radiation solvers while requiring only a sliver (roughly 0.5%) of computing wall time.

3D radiation↗

Extreme problem for partially nonoverlapping domains on a Riemann sphere

The results of this work are referred to the well-known trend of the geometric theory of functions of complex variable, namely, to the extreme problems on the classes of nonoverlapping domains. It was started by Lavrent’ev’s classical work [1], where, in particular, the problem of the product of conformal radii of two nonoverlapping domains was first solved. Now, this trend is intensively developed. The main results can be found in [2–8] and [9–13]. Our results present a generalization of some results in [7].

97 MATHEMATICS AND COMPUTING↗

Celeritas: GPU-accelerated particle transport for detector simulation in High Energy Physics experiments

Within the next decade, experimental High Energy Physics (HEP) will enter a new era of scientific discovery through a set of targeted programs recommended by the Particle Physics Project Prioritization Panel (P5), including the upcoming High Luminosity Large Hadron Collider (LHC) HL-LHC upgrade and the Deep Underground Neutrino Experiment (DUNE). These efforts in the Energy and Intensity Frontiers will require an unprecedented amount of computational capacity on many fronts including Monte Carlo (MC) detector simulation. In order to alleviate this impending computational bottleneck, the Celeritas MC particle transport code is designed to leverage the new generation of heterogeneous computer architectures, including the exascale computing power of U.S. Department of Energy (DOE) Leadership Computing Facilities (LCFs), to model targeted HEP detector problems at the full fidelity of Geant4. This paper presents the planned roadmap for Celeritas, including its proposed code architecture, physics capabilities, and strategies for integrating it with existing and future experimental HEP computing workflows.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Adaptive Angular Quadrature Scheme for a backwards-in-time Method of Characteristics Solution to the Radiative Transfer Equation [Slides]

Radiative transfer/radiation transport are important problems to solve in astrophysics and high energy density physics. Various methods exist to solve radiation transport, such as Monte Carlo (MC), Discrete Ordinates (S N ), Method of Characteristics (MOC), and the spherical harmonics (P N ) method. Method of Characteristics requires “launching” of rays in discrete directions. Unresolved details of angular mesh create ray effects and can miss sources in the domain. Ray effects can lead to unphysical “stepping” in solution and incorrect energy deposition. Adaptive quadrature schemes can be used to detect and mitigate these effects. The Method of Characteristics (MOC) is a common method for solving hyperbolic PDEs in radiation transport and supersonic flow problems. Generally in MOC for radiation transport, virtual particles are tracked from birth to the end of a timestep. This requires interpolation to go from final location to cell averaged or corner values of angular intensity. Backwards-in-Time (BIT) particle tracking avoids this by prescribing the final position of the virtual particle at the cell nodes/corners. Angular intensities are computed at time k + 1 by launching ray back to previous timestep(s), or t = 0. Scheme allows solution to be computed as the characteristic ray is traced backwards in time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗